Home Sulfos Propanoic acid, 3-(aminosulfonyl)-, methyl ester

Propanoic acid, 3-(aminosulfonyl)-, methyl ester

CAS No.:
15441-08-4
Catalog Number:
AG007XLD
Molecular Formula:
C4H9NO4S
Molecular Weight:
167.1836
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Product Description
Catalog Number:
AG007XLD
Chemical Name:
Propanoic acid, 3-(aminosulfonyl)-, methyl ester
CAS Number:
15441-08-4
Molecular Formula:
C4H9NO4S
Molecular Weight:
167.1836
MDL Number:
MFCD09734097
IUPAC Name:
methyl 3-sulfamoylpropanoate
InChI:
InChI=1S/C4H9NO4S/c1-9-4(6)2-3-10(5,7)8/h2-3H2,1H3,(H2,5,7,8)
InChI Key:
ICTSDDRYJKMPGS-UHFFFAOYSA-N
SMILES:
COC(=O)CCS(=O)(=O)N
Properties
Complexity:
202  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.025g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
167.179g/mol
Monoisotopic Mass:
167.025g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
94.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2  
Properties